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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202863

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1202863
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 5
  • Element list: ['Na', 'Mg', 'P', 'C', 'O']
  • Chemical System: C-Mg-Na-O-P
  • Density: 2.2841768776653475
  • Atomic Density: 0.07630983968180888
  • Unit Cell Volume: 1153.1933544472886
  • Molar Volume: 7.891696254520618
  • Full Formula: Na8 Mg8 P8 C16 O48
  • Reduced Formula: NaMgP(CO3)2
  • Formula Anonymous: ABCD2E6
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -637.88347901
  • Final energy per atom: -7.248675897840909
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.